BDBM289823 US10093683, Example 126B

SMILES: COC(=O)Nc1ccc(cc1)-c1nc(C(Cc2ccccc2)C(O)=O)n(COCC[Si](C)(C)C)c1Cl

InChI Key: InChIKey=OEWYHHYEGLULQJ-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 289823   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM289823 (US10093683, Example 126B) Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(C(Cc2ccccc2)C(O)=O)n(COCC[Si](C)(C)C)c1Cl Show InChI InChI=1S/C26H32ClN3O5Si/c1-34-26(33)28-20-12-10-19(11-13-20)22-23(27)30(17-35-14-15-36(2,3)4)24(29-22)21(25(31)32)16-18-8-6-5-7-9-18/h5-13,21H,14-17H2,1-4H3,(H,28,33)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	154	-9.29	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair